Task 38686703

Name test_74-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND7783_0
Workunit 31628125
Created 28 Oct 2026, 3:57:22 UTC
Sent 28 Oct 2026, 3:57:25 UTC
Report deadline 2 Nov 2026, 3:57:25 UTC
Received 28 Oct 2026, 4:31:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615534
Run time 33 min 17 sec
CPU time 30 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.59 MB
Peak swap size 3.74 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
04:59:05 (7156): wrapper (7.9.26016): starting
04:59:05 (7156): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
04:59:07 (7156): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:59:07 (7156): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\6\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\6\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
05:31:01 (7156): C:/Windows/system32/cmd.exe exited; CPU time 1837.843750
05:31:01 (7156): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 25525149 bytes.
Dumping objects ->
{3835311} normal block at 0x000002D6751E7BA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x000002D6751E7B30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x000002D673534E10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x000002D673534DA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000002D673534BE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x000002D6751FA4C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000002D673599AB0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835222} normal block at 0x000002D67352E6A0, 8 bytes long.
 Data: <  &#148;s&#214;   > 00 00 94 73 D6 02 00 00 
{3834575} normal block at 0x000002D6735999E0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002D67352EA10, 8 bytes long.
 Data: < 6%u&#214;   > 10 36 25 75 D6 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002D6735305D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002D6735260A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002D673535730, 16 bytes long.
 Data: < fSs&#214;           > 08 66 53 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002D673535C30, 16 bytes long.
 Data: <&#224;eSs&#214;           > E0 65 53 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002D67352F460, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002D6735358C0, 16 bytes long.
 Data: <&#184;eSs&#214;           > B8 65 53 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002D673535B40, 16 bytes long.
 Data: < eSs&#214;           > 90 65 53 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002D673535690, 16 bytes long.
 Data: <heSs&#214;           > 68 65 53 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002D6735360E0, 16 bytes long.
 Data: <@eSs&#214;           > 40 65 53 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002D673534940, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002D673535CD0, 16 bytes long.
 Data: < &#229;Qs&#214;           > 98 E5 51 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002D67352F340, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002D673535FA0, 16 bytes long.
 Data: <p&#229;Qs&#214;           > 70 E5 51 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002D6735355A0, 16 bytes long.
 Data: <H&#229;Qs&#214;           > 48 E5 51 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002D673535870, 16 bytes long.
 Data: < &#229;Qs&#214;           > 20 E5 51 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002D673536090, 16 bytes long.
 Data: <&#248;&#228;Qs&#214;           > F8 E4 51 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002D673535EB0, 16 bytes long.
 Data: <&#208;&#228;Qs&#214;           > D0 E4 51 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002D673535F50, 16 bytes long.
 Data: <&#168;&#228;Qs&#214;           > A8 E4 51 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002D67352FB20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002D673535DC0, 16 bytes long.
 Data: < &#228;Qs&#214;           > 80 E4 51 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002D67351E480, 320 bytes long.
 Data: <&#192;]Ss&#214;    &#251;Rs&#214;   > C0 5D 53 73 D6 02 00 00 20 FB 52 73 D6 02 00 00 
{274} normal block at 0x000002D673535AF0, 16 bytes long.
 Data: < eSs&#214;           > 20 65 53 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002D673535AA0, 16 bytes long.
 Data: <&#248;dSs&#214;           > F8 64 53 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002D67352F8E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002D673536040, 16 bytes long.
 Data: <&#208;dSs&#214;           > D0 64 53 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002D673530000, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002D673535550, 16 bytes long.
 Data: < dSs&#214;           > 18 64 53 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002D673535F00, 16 bytes long.
 Data: <&#240;cSs&#214;           > F0 63 53 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002D673535820, 16 bytes long.
 Data: <&#200;cSs&#214;           > C8 63 53 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002D673535A50, 16 bytes long.
 Data: <&#160;cSs&#214;           > A0 63 53 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002D673535BE0, 16 bytes long.
 Data: <xcSs&#214;           > 78 63 53 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002D673535C80, 16 bytes long.
 Data: <PcSs&#214;           > 50 63 53 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002D6735355F0, 16 bytes long.
 Data: <&#176;ISs&#214;           > B0 49 53 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002D6735349B0, 40 bytes long.
 Data: <&#240;USs&#214;   &#192;&#164; u&#214;   > F0 55 53 73 D6 02 00 00 C0 A4 1F 75 D6 02 00 00 
{260} normal block at 0x000002D673535B90, 16 bytes long.
 Data: <0cSs&#214;           > 30 63 53 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002D673535A00, 16 bytes long.
 Data: < cSs&#214;           > 08 63 53 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002D67352F580, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002D673535500, 16 bytes long.
 Data: <&#224;bSs&#214;           > E0 62 53 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002D6735362E0, 992 bytes long.
 Data: < USs&#214;    &#245;Rs&#214;   > 00 55 53 73 D6 02 00 00 80 F5 52 73 D6 02 00 00 
{92} normal block at 0x000002D67352F7C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002D67352E4C0, 16 bytes long.
 Data: < &#241;Qs&#214;           > 10 F1 51 73 D6 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002D67351F110, 40 bytes long.
 Data: <&#192;&#228;Rs&#214;   &#192;&#247;Rs&#214;   > C0 E4 52 73 D6 02 00 00 C0 F7 52 73 D6 02 00 00 
{69} normal block at 0x000002D67352E3D0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 12 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002D67352F230, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 12 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002D67352E380, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002D67352E7E0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002D67352E790, 16 bytes long.
 Data: <P   &#247;           > 50 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002D67352E420, 16 bytes long.
 Data: <0   &#247;           > 30 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002D67352E5B0, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002D67352EE70, 16 bytes long.
 Data: <    &#247;           > 10 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002D67352EFB0, 16 bytes long.
 Data: <p   &#247;           > 70 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002D67352EE20, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0D 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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